3-bromo-N-[4-[pyrimidin-2-yl(2-trimethylsilylethoxymethyl)sulfamoyl]phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxamide

C26H39BrN6O5SSi2 — CID 154407206

IUPAC3-bromo-N-[4-[pyrimidin-2-yl(2-trimethylsilylethoxymethyl)sulfamoyl]phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxamide
SMILESC[Si](C)(C)CCOCN(c1ncccn1)S(=O)(=O)c1ccc(NC(=O)c2cc(Br)nn2COCC[Si](C)(C)C)cc1
InChIInChI=1S/C26H39BrN6O5SSi2/c1-40(2,3)16-14-37-19-32-23(18-24(27)31-32)25(34)30-21-8-10-22(11-9-21)39(35,36)33(26-28-12-7-13-29-26)20-38-15-17-41(4,5)6/h7-13,18H,14-17,19-20H2,1-6H3,(H,30,34)
InChIKeyFFBMWQSGZONCJM-UHFFFAOYSA-N
MW683.78 g/mol
LogP5.51
Rot. Bonds15

About 3-bromo-N-[4-[pyrimidin-2-yl(2-trimethylsilylethoxymethyl)sulfamoyl]phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxamide

3-bromo-N-[4-[pyrimidin-2-yl(2-trimethylsilylethoxymethyl)sulfamoyl]phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxamide (PubChem CID 154407206) has the molecular formula C26H39BrN6O5SSi2 and a molecular weight of 683.78 g/mol. Its IUPAC name is 3-bromo-N-[4-[pyrimidin-2-yl(2-trimethylsilylethoxymethyl)sulfamoyl]phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[4-[pyrimidin-2-yl(2-trimethylsilylethoxymethyl)sulfamoyl]phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxamide
PubChem CID154407206
Molecular FormulaC26H39BrN6O5SSi2
Molecular Weight683.78 g/mol
Exact Mass682.14
IUPAC Name3-bromo-N-[4-[pyrimidin-2-yl(2-trimethylsilylethoxymethyl)sulfamoyl]phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxamide
SMILESC[Si](C)(C)CCOCN(c1ncccn1)S(=O)(=O)c1ccc(NC(=O)c2cc(Br)nn2COCC[Si](C)(C)C)cc1
InChIInChI=1S/C26H39BrN6O5SSi2/c1-40(2,3)16-14-37-19-32-23(18-24(27)31-32)25(34)30-21-8-10-22(11-9-21)39(35,36)33(26-28-12-7-13-29-26)20-38-15-17-41(4,5)6/h7-13,18H,14-17,19-20H2,1-6H3,(H,30,34)
InChIKeyFFBMWQSGZONCJM-UHFFFAOYSA-N
XLogP5.51
TPSA128.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.78
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3-bromo-N-[4-[pyrimidin-2-yl(2-trimethylsilylethoxymethyl)sulfamoyl]phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxamide with MolForge

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Related Compounds

2-[[3-bromo-5-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 177304121
N-pyridin-4-yl-5-(1,3-thiazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide
CID 66854578
1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]ethanone
CID 156716995
5-bromo-2-butoxy-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]benzamide
CID 17349929
5-[(4-bromophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 19413497
2-bromo-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1015438
3-cyclopropyl-N-[4-(dimethylsulfamoyl)phenyl]-1-phenylpyrazole-5-carboxamide
CID 9438240
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 26899209
N-[4-(diethylsulfamoyl)phenyl]-3-ethoxybenzamide
CID 4957423
2-[(4-acetamidophenyl)sulfonyl-ethylamino]pyridine-3-carboxylic acid
CID 4738975
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 19466051
7-bromo-N-[4-(diethylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 38887772

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-[pyrimidin-2-yl(2-trimethylsilylethoxymethyl)sulfamoyl]phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxamide?
The IUPAC name of 3-bromo-N-[4-[pyrimidin-2-yl(2-trimethylsilylethoxymethyl)sulfamoyl]phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxamide (CID 154407206) is 3-bromo-N-[4-[pyrimidin-2-yl(2-trimethylsilylethoxymethyl)sulfamoyl]phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-bromo-N-[4-[pyrimidin-2-yl(2-trimethylsilylethoxymethyl)sulfamoyl]phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-bromo-N-[4-[pyrimidin-2-yl(2-trimethylsilylethoxymethyl)sulfamoyl]phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxamide is C[Si](C)(C)CCOCN(c1ncccn1)S(=O)(=O)c1ccc(NC(=O)c2cc(Br)nn2COCC[Si](C)(C)C)cc1.
What is the InChIKey of 3-bromo-N-[4-[pyrimidin-2-yl(2-trimethylsilylethoxymethyl)sulfamoyl]phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxamide?
The InChIKey is FFBMWQSGZONCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39BrN6O5SSi2/c1-40(2,3)16-14-37-19-32-23(18-24(27)31-32)25(34)30-21-8-10-22(11-9-21)39(35,36)33(26-28-12-7-13-29-26)20-38-15-17-41(4,5)6/h7-13,18H,14-17,19-20H2,1-6H3,(H,30,34).
What are the key properties of 3-bromo-N-[4-[pyrimidin-2-yl(2-trimethylsilylethoxymethyl)sulfamoyl]phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxamide?
3-bromo-N-[4-[pyrimidin-2-yl(2-trimethylsilylethoxymethyl)sulfamoyl]phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxamide has a molecular weight of 683.78 g/mol, XLogP of 5.51, 15 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-[pyrimidin-2-yl(2-trimethylsilylethoxymethyl)sulfamoyl]phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 154407206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).